N-(4-bromo-2-hydroxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

C14H16BrN3O2 — CID 86788484

IUPACN-(4-bromo-2-hydroxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCc1n[nH]c(C)c1C(C)C(=O)Nc1ccc(Br)cc1O
InChIInChI=1S/C14H16BrN3O2/c1-7(13-8(2)17-18-9(13)3)14(20)16-11-5-4-10(15)6-12(11)19/h4-7,19H,1-3H3,(H,16,20)(H,17,18)
InChIKeyAVYLLBLKFRRWFN-UHFFFAOYSA-N
MW338.21 g/mol
LogP3.24
Rot. Bonds3

About N-(4-bromo-2-hydroxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

N-(4-bromo-2-hydroxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (PubChem CID 86788484) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is N-(4-bromo-2-hydroxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-hydroxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
PubChem CID86788484
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC NameN-(4-bromo-2-hydroxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCc1n[nH]c(C)c1C(C)C(=O)Nc1ccc(Br)cc1O
InChIInChI=1S/C14H16BrN3O2/c1-7(13-8(2)17-18-9(13)3)14(20)16-11-5-4-10(15)6-12(11)19/h4-7,19H,1-3H3,(H,16,20)(H,17,18)
InChIKeyAVYLLBLKFRRWFN-UHFFFAOYSA-N
XLogP3.24
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-hydroxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-(4-bromo-2-hydroxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (CID 86788484) is N-(4-bromo-2-hydroxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-(4-bromo-2-hydroxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-(4-bromo-2-hydroxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is Cc1n[nH]c(C)c1C(C)C(=O)Nc1ccc(Br)cc1O.
What is the InChIKey of N-(4-bromo-2-hydroxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The InChIKey is AVYLLBLKFRRWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-7(13-8(2)17-18-9(13)3)14(20)16-11-5-4-10(15)6-12(11)19/h4-7,19H,1-3H3,(H,16,20)(H,17,18).
What are the key properties of N-(4-bromo-2-hydroxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
N-(4-bromo-2-hydroxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide has a molecular weight of 338.21 g/mol, XLogP of 3.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-hydroxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 86788484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).